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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Data is from modelling databases.
Qualifier:
according to guideline
Guideline:
other: refer principle below
Principles of method if other than guideline:
To estimate octanol water partition coefficient of the (2E)-3-phenylprop-2-en-1-yl formate (CAS no. 104-65-4)
GLP compliance:
not specified
Type of method:
other: estimation
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Name of test material: Cinnamyl formate
- IUPAC name: (2E)-3-phenylprop-2-en-1-yl formate
- Molecular formula: C10H10O2
- Molecular weight: 162.187 g/mole
- Smiles :c1(\C=C\COC=O)ccccc1
- Inchl: 1S/C10H10O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2/b7-4+
- Substance type: Organic
- Physical state: Liquid (Colorless to yellowish)
Key result
Type:
log Pow
Partition coefficient:
2.3
Remarks on result:
other: other details not available
Conclusions:
The estimated octanol water partition coefficient i.e., log POW of the test chemical (2E)-3-phenylprop-2-en-1-yl formate (CAS no. 104-65-4) was 2.30.
Executive summary:

Octanol water partition coefficient of the (2E)-3-phenylprop-2-en-1-yl formate (CAS no. 104 -65 -4) was estimated. The estimated log POW of the (2E)-3-phenylprop-2-en-1-yl formate was 2.30. On the basis of estimated value, the 2-phenylethyl pentanoate can be considered as s hydrophillic in nature.

Description of key information

Octanol water partition coefficient of the (2E)-3-phenylprop-2-en-1-yl formate (CAS no. 104 -65 -4) was estimated. The estimated log POW of the (2E)-3-phenylprop-2-en-1-yl formate was 2.30. On the basis of estimated value, the 2-phenylethyl pentanoate can be considered as s hydrophillic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
2.3
at the temperature of:
25 °C

Additional information

Octanol water partition coefficient of the (2E)-3-phenylprop-2-en-1-yl formate (CAS no. 104 -65 -4) was estimated. The estimated log POW of the (2E)-3-phenylprop-2-en-1-yl formate was 2.30. On the basis of estimated value, the 2-phenylethyl pentanoate can be considered as s hydrophillic in nature.